N,N'-Bis(2-Hydroxybenzyl)-1-(4-Bromoacetamidobenzyl)-1,2-Ethylenediamine-N,N'-Diacetic Acid
[CAS# 126926-47-4]

Identification

• Name: N,N'-Bis(2-Hydroxybenzyl)-1-(4-Bromoacetamidobenzyl)-1,2-Ethylenediamine-N,N'-Diacetic Acid
• Synonyms: 2-[[1-[[4-[(2-Bromoacetyl)Amino]Phenyl]Methyl]-2-[Carboxymethyl-[(2-Hydroxyphenyl)Methyl]Amino]Ethyl]-[(2-Hydroxyphenyl)Methyl]Amino]Acetic Acid; 2-[[1-[[4-[(2-Bromo-1-Oxoethyl)Amino]Phenyl]Methyl]-2-[Carboxymethyl-[(2-Hydroxyphenyl)Methyl]Amino]Ethyl]-[(2-Hydroxyphenyl)Methyl]Amino]Acetic Acid; 2-[[1-[4-[(2-Bromoacetyl)Amino]Benzyl]-2-[Carboxymethyl-(2-Hydroxybenzyl)Amino]Ethyl]-(2-Hydroxybenzyl)Amino]Acetic Acid
• Molecular Formula: C₂₉H₃₂BrN₃O₇
• Molecular Weight: 614.49
• CAS Registry Number: 126926-47-4
• SMILES: C3=C(CC(N(CC1=CC=CC=C1O)CC(=O)O)CN(CC2=CC=CC=C2O)CC(=O)O)C=CC(=C3)NC(=O)CBr
• InChI: 1S/C29H32BrN3O7/c30-14-27(36)31-23-11-9-20(10-12-23)13-24(33(19-29(39)40)16-22-6-2-4-8-26(22)35)17-32(18-28(37)38)15-21-5-1-3-7-25(21)34/h1-12,24,34-35H,13-19H2,(H,31,36)(H,37,38)(H,39,40)
• InChIKey: PJZDMOUUFZCTBD-UHFFFAOYSA-N

Properties

• Density: 1.512g/cm³ (Cal.)
• Boiling point: 835.638°C at 760 mmHg (Cal.)
• Flash point: 459.177°C (Cal.)